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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036615

Holacanthone

Formula: C22H28O9  |  Mol. Weight: 436.50 g/mol

IUPAC: [(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] acetate

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Overview

Molecular Formula C22H28O9
Molecular Weight 436.50 g/mol
Canonical SMILES CC1C2C(C(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(=O)C5O)C)C)O)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy